SCHEMBL4001670

SCHEMBL4001670

O=[N+]([O-])c1cc(S(=O)(=O)c2ccccc2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 0.64
KIF18A Q8NI77 1/20 0.59
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57
KMT2A Q03164 2/20 0.56
SLC25A1 P53007 1/20 0.54
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29780388 0.91 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL10452716 0.91 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL809482 0.91 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL12639368 0.88 VCAM1 (0.65) VCAM1KIF18ANPBWR1MCHR1ALDH1A1
SCHEMBL10719874 0.87 VCAM1 (0.63) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL28674925 0.87 KIF18A (0.59) VCAM1KIF18AKMT2AMEN1RAB9A
SCHEMBL11044862 0.86 KMT2A (0.73) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL4617709 0.85 VCAM1 (0.61) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL11047958 0.85 VCAM1 (0.65) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL11052823 0.82 VCAM1 (0.66) VCAM1NPBWR1MCHR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103052671-A Novel polymer, method for producing same, and film JSR CORP 2013-04-17 CN disclosed
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
WO-2008060999-A1 PIPERIDINYL ARYLSULFONE DERIVATIVES AS MODULATORS OF SECRETED FRIZZLED RELATED PROTEIN-1 WYETH (US) 2008-05-22 WO disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 US disclosed
EP-0617010-B1 Therapeutic compounds ASTRAZENECA AB (SE) 2002-01-09 EP disclosed
US-5900432-A Therapeutic N-(4-benzoyl-2-methyl-phenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamides ZENECA LIMITED (GB) 1999-05-04 US disclosed
EP-0625511-B1 Heterocyclic compounds and their use in pharmaceutical ZENECA LTD (GB) 1999-02-17 EP disclosed
US-5700798-A Methods for using benzoxazines for treating asthma ZENECA LIMITED (GB) 1997-12-23 US disclosed
EP-0698022-B1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LTD (GB) 1997-09-17 EP disclosed
US-5504089-A TREATING URINARY INCONTINENCE ZENECA LIMITED (GB) 1996-04-02 US disclosed
EP-0698022-A1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LTD (GB) 1996-02-28 EP disclosed
US-5486515-A 2-fluoroalkyl-1,4-benzoxaxines as potassium channel mediators ZENECA LIMITED (GB) 1996-01-23 US disclosed
US-5482969-A Certain N(4-benzoyl-2-phenyl)-3- trifluoro-2-hydroxy-propanamide derivatives ZENECA LIMITED (GB) 1996-01-09 US disclosed
WO-1994026739-A1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LIMITED (GB) 1994-11-24 WO disclosed
EP-0625511-A1 Heterocyclic compounds and their use in pharmaceutical ZENECA LIMITED (GB) 1994-11-23 EP disclosed
EP-0617010-A1 Therapeutic compounds ZENECA LIMITED (GB) 1994-09-28 EP disclosed
US-4808723-A Process for the preparation of benzothiazoles BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 VCAM1 2183/4885KIF18A 4175/4885NPBWR1 1379/4885
US-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 VCAM1 293/4885KIF18A 2892/4885NPBWR1 201/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.